SCHEMBL6932180

SCHEMBL6932180

CC(=Cc1ccccc1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM1A O60341 2/20 0.42
NISCH Q9Y2I1 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL29253491 0.84 ADRB1 (0.46) SIGMAR1KMT2AMEN1ADRB1HTR3A
SCHEMBL613703 0.83 HPGD (0.51) KMT2AMEN1KDM1ATSHRALDH1A1
SCHEMBL6933020 0.82 ADRB1 (0.47) POLBADRB1HTR3ASMN1; SMN2MAPT
SCHEMBL6934619 0.81 CYP1A2 (0.46) SIGMAR1POLBKMT2AMEN1HTR3E
SCHEMBL24528365 0.79 RAB9A (0.53) KMT2AMEN1TSHRALDH1A1AKR1C3
SCHEMBL13165368 0.79 RAB9A (0.53) KMT2AMEN1TSHRALDH1A1AKR1C3
SCHEMBL6931654 0.78 ADRB1 (0.45) SIGMAR1POLBKMT2AADRB1HTR3A
Bromide SCHEMBL4354126 0.76 SIGMAR1 (0.45) SIGMAR1POLBKMT2AMEN1HTR3E
SCHEMBL9354442 0.76 SIGMAR1 (0.45) SIGMAR1POLBKMT2AMEN1HTR3E
SCHEMBL6931863 0.76 ALDH1A1 (0.48) KMT2AMEN1ADRB1TSHRALDH1A1

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
EP-1366030-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS Neurogen Corporation (US) 2003-12-03 EP claimed
WO-2002004433-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-17 WO claimed