SCHEMBL5348277

SCHEMBL5348277

Cc1ccccc1CC1(O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.37
HDAC4 P56524 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL7290612 0.82 LMNA (0.46) GRIN2BTAAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL20137513 0.81 LMNA (0.49) GRIN2BTAAR1MEN1KMT2A
SCHEMBL20069595 0.81 UTS2R (0.45) GRIN2BALDH1A1KDM4EPOLBMEN1
SCHEMBL22857083 0.80 GRIN2B (0.41) GRIN2BALDH1A1KDM4EPOLBMEN1
SCHEMBL3772435 0.79 USP2 (0.39) USP2TSHRP2RX7
SCHEMBL376479 0.78 MAPK1 (0.41) GRIN2BTSHRALDH1A1KDM4ETAAR1
SCHEMBL10614529 0.78 USP2 (0.41) USP2TSHR
SCHEMBL10191864 0.78 ALDH1A1 (0.44) GRIN2BUSP2TSHRALDH1A1TAAR1
SCHEMBL7105614 0.78 USP2 (0.41) USP2TSHR
SCHEMBL10192225 0.78 ALDH1A1 (0.44) GRIN2BUSP2TSHRALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed