SCHEMBL8939874

SCHEMBL8939874

Cc1cc(C)cc(C(=O)N2CCC(=O)C[C@@H]2[C@H](O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.41
TP53 P04637 2/20 0.39
HSD17B2 P37059 3/20 0.37
LMNA P02545 2/20 0.37
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9204527 1.00 TACR1 (0.41) TACR1TP53HSD17B2LMNAMTNR1B
SCHEMBL8925754 0.90 HSD17B2 (0.36) TACR1TP53HSD17B2LMNAHPGD
SCHEMBL8924315 0.90 HSD17B2 (0.36) TACR1TP53HSD17B2LMNAHPGD
SCHEMBL8926073 0.88 GRIN2C (0.40) TACR1HSD17B2LMNAALDH1A1KDM4E
SCHEMBL8925866 0.88 GRIN2C (0.40) TACR1HSD17B2LMNAALDH1A1KDM4E
SCHEMBL8925804 0.87 MTNR1B (0.38) TACR1TP53MTNR1BHPGD
SCHEMBL8925221 0.87 MTNR1B (0.38) TACR1TP53MTNR1BHPGD
SCHEMBL8927584 0.86 HSD17B2 (0.42) TACR1HSD17B2MTNR1B
SCHEMBL9565771 0.86 HSD17B2 (0.42) TACR1HSD17B2MTNR1B
SCHEMBL8923597 0.86 HSD17B2 (0.42) TACR1HSD17B2MTNR1B

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
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP claimed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP claimed
US-5585415-A A FINE, UNIFORM SURFACE WRINKLING EFFECT; USING AN ACYLPHOSPHINE AND AN ACETOPHENONE DERIVATIVE AS PHOTOINITIATORS PPG INDUSTRIES, INC. (US) 1996-12-17 US disclosed
EP-0693002-A1 COMPOSITIONS AND METHODS FOR PRODUCING HIGH GLOSS RADIATON CURABLE COATINGS PPG INDUSTRIES INC (US) 1996-01-24 EP disclosed
EP-0662991-A1 PIGMENTED COMPOSITIONS AND METHODS FOR PRODUCING RADIATION CURABLE COATINGS OF VERY LOW GLOSS PPG INDUSTRIES, INC. (US) 1995-07-19 EP disclosed
WO-1995008596-A1 FLAT, DARK PIGMENTED RADIATION CURABLE COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1995-03-30 WO disclosed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
WO-1994022596-A1 COMPOSITIONS AND METHODS FOR PRODUCING HIGH GLOSS RADIATON CURABLE COATINGS PPG INDUSTRIES, INC. (US) 1994-10-13 WO disclosed
WO-1994007958-A1 PIGMENTED COMPOSITIONS AND METHODS FOR PRODUCING RADIATION CURABLE COATINGS OF VERY LOW GLOSS PPG INDUSTRIES, INC. (US) 1994-04-14 WO disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed