SCHEMBL7615992

SCHEMBL7615992

CC(OC(=O)c1c[nH]c2ccccc12)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
TSHR P16473 1/20 0.58
THPO P40225 1/20 0.58
RAB9A P51151 1/20 0.58
PMP22 Q01453 1/20 0.57
NR4A2 P43354 2/20 0.56
CREBBP Q92793 1/20 0.56
POLB P06746 1/20 0.55
KMT2A Q03164 3/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3262552 0.81 NR4A2 (0.69) CYP2D6ALDH1A1NR4A2CREBBPKMT2A
SCHEMBL7270811 0.79 ALDH1A1 (0.63) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7271032 0.78 HTR3E (0.56) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7278288 0.78 HTR3E (0.56) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7271076 0.76 HTR3E (0.54) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7298589 0.76 KMT2A (0.54) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7270889 0.75 SMN1; SMN2 (0.63) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL289605 0.74 POLB (0.74) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL1041116 0.73 TSHR (1.00) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL7269431 0.73 HTR3E (0.53) CYP2D6ALDH1A1CYP1A2CYP2C9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385476-B1 COMPOSITION FOR TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS SINAI MEDICAL CENTER (US) 2021-01-27 EP disclosed
US-20170095543-A1 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2017-04-06 US disclosed
US-9358276-B2 Methods of diagnosing and treating small intestinal bacterial overgrowth (SIBO) and SIBO-related conditions CEDARS-SINAI MEDICAL CENTER (US) 2016-06-07 US disclosed
US-20140206636-A1 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2014-07-24 US disclosed
US-8388935-B2 Methods of diagnosing and treating small intestinal bacterial overgrowth (SIBO) and SIBO-related conditions CEDARS-SINAI MEDICAL CENTER (US) 2013-03-05 US disclosed
US-20120263790-A1 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2012-10-18 US disclosed
US-20020039599-A1 Calibration; administering antiseptic compound NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-04 US disclosed