SCHEMBL8799134

SCHEMBL8799134

O=C(CC12CC3CC(CC(C3)C1)C2)N1CC2CCC(CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.66
HSD11B1 P28845 1/20 0.57
TSHR P16473 1/20 0.54
GRM1 Q13255 1/20 0.49
EPHX1 P07099 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL26032569 0.84 BPTF (0.65) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL8801573 0.82 BPTF (0.46) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL29201838 0.76 BPTF (0.68) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL8749014 0.75 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL12204818 0.75 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL31119839 0.75 BPTF (0.72) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL26032675 0.75 BPTF (0.53) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL640879 0.74 BPTF (0.70) BPTFHSD11B1TSHRGRM1EPHX1
SCHEMBL8748855 0.74 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL2529216 0.74 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1KDM4E

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-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed