SCHEMBL8477355

SCHEMBL8477355

CCCNC(=O)c1c(C(c2ccccc2)c2ccc(OC(C)C3CCCN3)cc2)c2ccccc2n1C(C)C1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.38
SLC6A3 Q01959 7/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 3/20 0.35
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.33

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
Hydrochloric Acid SCHEMBL8474176 0.91 SLC6A3 (0.39) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8473415 0.91 GPR88 (0.41) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8898481 0.90 HTR2C (0.42) GPR88ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8476312 0.89 SLC6A3 (0.36) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8472274 0.89 SMN1; SMN2 (0.38) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8477091 0.88 GPR88 (0.39) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8471936 0.87 GPR88 (0.36) GPR88SLC6A3SLC6A2SLC6A4
SCHEMBL8475776 0.87 RCE1 (0.42) ALDH1A1LMNATSHR
SCHEMBL8474565 0.87 SLC6A3 (0.42) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8473691 0.83 SLC6A3 (0.43) GPR88SLC6A3SLC6A2SLC6A4DHFR

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