SCHEMBL6690501

SCHEMBL6690501

CSC1=CC(=O)C2(Cc3ccc(F)cc3)CN(C(=O)OC(C)(C)C)CCN12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
RORC P51449 4/20 0.38
F2RL1 P55085 2/20 0.38
HDAC2 Q92769 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
S1PR2 O95136 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
HDAC1 Q13547 1/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6692315 0.84 CNR1 (0.39) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL5224912 0.81 KDM1A (0.42) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL6697164 0.79 KDM1A (0.43) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL5229477 0.79 GPR119 (0.42) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL6698251 0.78 KDM1A (0.39) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL6694182 0.78 KDM1A (0.44) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL6691130 0.77 DNMT3A (0.41) KDM1AGPR119RORCF2RL1HDAC2
SCHEMBL6699145 0.77 ACHE (0.42) GPR119RORC
SCHEMBL6705735 0.76 GHSR (0.42) P2RX7
SCHEMBL6689376 0.74 GHSR (0.53) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002802-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER PROD INC (US) 2004-12-08 EP disclosed
US-6194578-B1 GROWTH HORMONE SECRETAGOGUES; USEFUL FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS AND/OR FRAILTY, INSULIN RESISTANCE IN MAMMALS, CONGESTIVE HEART FAILURE, OBESITY, ACCELERATING BONE FRACTURE REPAIR REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2001-02-27 US disclosed
EP-1002802-A1 Dipeptide derivatives as growth hormone secretagogues Pfizer Products Inc. (US) 2000-05-24 EP disclosed