SCHEMBL5903670

SCHEMBL5903670

Cn1c(N2CCNCC2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ HTR3E A5X5Y0 4/20 0.47
▸ HTR3B O95264 4/20 0.47
▸ HTR3A P46098 4/20 0.47
▸ HTR3D Q70Z44 4/20 0.47
▸ HTR3C Q8WXA8 4/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ HTR5A P47898 2/20 0.47
▸ HTR6 P50406 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ HTR7 P34969 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NCF1 P14598 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44

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
SCHEMBL8791762 0.84 KMT2A (0.46) HTR2AHTR2CADRA2AKDM4EALDH1A1
SCHEMBL11555106 0.78 HTR3E (0.53) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2346242 0.74 ADRB1 (0.60) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2348309 0.73 HTR3A (0.44) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2342043 0.73 HTR3A (0.56) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2345082 0.73 HTR3E (0.48) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2350412 0.73 HTR6 (0.63) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL2346369 0.73 ADRB1 (0.53) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL28741142 0.73 KDM4E (0.51) HTR2AHTR2CHTR1AKDM4ELMNA
SCHEMBL2348220 0.72 ADRB1 (0.62) HTR2AHTR2CHTR3EHTR3BHTR3A

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-20140256738-A1 USE OF SELECTIVE DOPAMINE D4 RECEPTOR AGONISTS FOR TREATING SEXUAL DYSFUNCTION ABBVIE INC. 2014-09-11 — — US disclosed
US-20060276484-A1 Use of selective dopamine D4 receptor agonists for treating sexual dysfunction ABBVIE INC. 2006-12-07 — — US disclosed
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