SCHEMBL8472268

SCHEMBL8472268

O=C(NC1CCCCCCC1)c1c(C(c2ccccc2)c2ccc(OCCC3CCCN3)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
NPY1R P25929 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR88 Q9GZN0 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
P2RY12 Q9H244 1/20 0.35
EPHX2 P34913 1/20 0.34
CHEK2 O96017 1/20 0.34
HTR4 Q13639 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
SCHEMBL8473410 0.90 MAPK1 (0.43) MAPK1NPY1RKDM4ESMN1; SMN2GPR88
SCHEMBL8477348 0.89 GPR88 (0.41) MAPK1NPY1RSMN1; SMN2GPR88P2RY12
SCHEMBL8477090 0.89 NPY1R (0.40) MAPK1NPY1RKDM4ESMN1; SMN2GPR88
SCHEMBL8474562 0.85 MAPK1 (0.38) MAPK1NPY1RKDM4ESMN1; SMN2GPR88
SCHEMBL8472271 0.84 HRH3 (0.47) MAPK1KDM4ESMN1; SMN2ALDH1A1CNR1
SCHEMBL8901044 0.84 NPY1R (0.41) MAPK1NPY1RKDM4ESMN1; SMN2GPR88
SCHEMBL8471933 0.84 MAPK1 (0.37) MAPK1GPR88
SCHEMBL8475771 0.83 SMN1; SMN2 (0.41) MAPK1KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL8477078 0.82 HTR2C (0.42) MAPK1NPY1RKDM4EGPR88
SCHEMBL8479145 0.82 HTR2C (0.42) NPY1RSMN1; SMN2GPR88

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-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed