SCHEMBL7666266

SCHEMBL7666266

CC(=O)N1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.45
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMO Q99835 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL955395 0.85 SMN1; SMN2 (0.40) KMT2AUSP2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL31542129 0.84 CYP2B6 (0.58) KMT2AUSP2NOTUMALDH1A1MAPK1
SCHEMBL7666262 0.82 SMN1; SMN2 (0.41) KMT2AUSP2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL17523153 0.81 BLM (0.59) KMT2AALDH1A1NPC1RAB9ACKS1B
SCHEMBL9650536 0.80 CYP2B6 (0.46) ALDH1A1MAPK1CYP2D6SMN1; SMN2
SCHEMBL818967 0.79 CHRM1 (0.47) KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL27906266 0.79 TSHR (0.57) KMT2AALDH1A1CYP2C19NPC1RAB9A
SCHEMBL2867370 0.79 GPR119 (0.53) KMT2AUSP2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL22106794 0.78 MEN1 (0.42) KMT2AALDH1A1NPC1
SCHEMBL17523154 0.77 MGLL (0.56) KMT2AUSP2ALDH1A1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed