SCHEMBL6858039

SCHEMBL6858039

Cc1cccc(CN2CCN(CC(=O)NOCc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6864884 0.88 KMT2A (0.58) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7111273 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL6864565 0.86 ALDH1A1 (0.49) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL3971804 0.85 RAB9A (0.54) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL6865561 0.83 FAAH (0.59) FAAHALDH1A1KDM4EKMT2APOLB
SCHEMBL6864289 0.83 FAAH (0.59) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL14870354 0.83 ALDH1A1 (0.59) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL6864679 0.82 ALDH1A1 (0.58) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL15829215 0.81 ALDH1A1 (0.60) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL7178916 0.81 ALDH1A1 (0.60) FAAHALDH1A1KDM4EMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed