SCHEMBL5476358

SCHEMBL5476358

C=C1C[C@@H](C(=O)NCC(O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.70
AVPR1A P37288 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.40
PKM P14618 1/20 0.40
BCAT2 O15382 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
POLB P06746 2/20 0.39
CFD P00746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PRMT5 O14744 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4942988 0.88 OXTR (0.71) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4940128 0.85 OXTR (0.67) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4940121 0.85 OXTR (0.67) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7089595 0.83 OXTR (0.78) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4945247 0.82 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7079837 0.82 OXTR (0.77) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4944776 0.82 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4936262 0.82 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4936835 0.82 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7137761 0.82 OXTR (0.77) OXTRAVPR1ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US claimed